The self-assembly of diphane units results in superstructures with tunable proton conductivity, which reaches up to 1.37×10 -5 S cm -1.Ĭovalent organic cages with well-defined intrinsic porosity have attracted increasing attention for the last decade 1, 2, 3, 4, 5, 6, 7, 8. This strategy allows the formation of three compounds with twin cavities, which we coin diphane. Small-sized CC-1 selectively capture Conformer-1 by matching its cleft size, while the large-sized CC-2 is able to match and capture both conformers. Aided by molecular dynamics simulations, we select two triamino conformation capturers (denoted CC). Conformer-1 and -2, with different cleft positions and sizes. These structures may pave the way towards novel porous materials with emergent properties and functions.We herein report on rational design of a three-dimensional hexaformyl precursor 1, which exhibits two types of conformers, i.e. In contrast, the number of organic cages featuring a pair of cavities remains scarce. Bruker KRYOFLEX low temperature deviceA variety of organic cages with different geometries have been developed during the last decade, most of them exhibiting a single cavity. R-factors based on F 2 are statistically about twice as largeĪs those based on F, and R- factors based on ALL data will beįractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2) top Σ( F 2) is used only for calculating R-factors(gt) etc.Īnd is not relevant to the choice of reflections for refinement. R-factors R are based on F, with F set to zero for WR and goodness of fit S are based on F 2, conventional Refinement of F 2 against ALL reflections. Treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. Used when they are defined by crystal symmetry.
Into account individually in the estimation of e.s.d.'s in distances, anglesĪnd torsion angles correlations between e.s.d.'s in cell parameters are only
#Bruker apex ii full
planes)Īre estimated using the full covariance matrix. The azo group is not involved in any specific intermolecular interactions in any of the co-crystals studied, which is an interesting feature in the context of enhanced photoisomerization behaviour and photoactive properties of the material systems.Įxperimental. It is demonstrated that the studied halogen-bond donor molecule is a reliable tecton for assembling halogen-bonded co-crystals with potential photoresponsive behaviour. The crystal structure of the non-iodinated homologue ( E)-bis(2,3,5,6-tetrafluorophenyl)diazene, C 12H 2F 8N 2, is also reported. In order to obtain further insight into the solid-state features of halogen-bonded photoactive molecules, three halogen-bonded co-crystals containing an azobenzene-based difunctional halogen-bond donor molecule, ( E)-bis(4-iodo-2,3,5,6-tetrafluorophenyl)diazene, C 12F 8I 2N 2, have been synthesized and structurally characterized by single-crystal X-ray diffraction. Halogen bonding is emerging as a powerful non-covalent interaction in the context of supramolecular photoresponsive materials design, particularly due to its high directionality.
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